2-(2-bromophenyl)-1-ethylindole

C16H14BrN — CID 141407041

IUPAC2-(2-bromophenyl)-1-ethylindole
SMILESCCn1c(-c2ccccc2Br)cc2ccccc21
InChIInChI=1S/C16H14BrN/c1-2-18-15-10-6-3-7-12(15)11-16(18)13-8-4-5-9-14(13)17/h3-11H,2H2,1H3
InChIKeyKCQXTUDYYHLBHW-UHFFFAOYSA-N
MW300.20 g/mol
LogP5.09
Rot. Bonds2

About 2-(2-bromophenyl)-1-ethylindole

2-(2-bromophenyl)-1-ethylindole (PubChem CID 141407041) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-ethylindole.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-ethylindole
PubChem CID141407041
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name2-(2-bromophenyl)-1-ethylindole
SMILESCCn1c(-c2ccccc2Br)cc2ccccc21
InChIInChI=1S/C16H14BrN/c1-2-18-15-10-6-3-7-12(15)11-16(18)13-8-4-5-9-14(13)17/h3-11H,2H2,1H3
InChIKeyKCQXTUDYYHLBHW-UHFFFAOYSA-N
XLogP5.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.20
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-ethylindole?
The IUPAC name of 2-(2-bromophenyl)-1-ethylindole (CID 141407041) is 2-(2-bromophenyl)-1-ethylindole.
What is the SMILES notation for 2-(2-bromophenyl)-1-ethylindole?
The canonical SMILES for 2-(2-bromophenyl)-1-ethylindole is CCn1c(-c2ccccc2Br)cc2ccccc21.
What is the InChIKey of 2-(2-bromophenyl)-1-ethylindole?
The InChIKey is KCQXTUDYYHLBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN/c1-2-18-15-10-6-3-7-12(15)11-16(18)13-8-4-5-9-14(13)17/h3-11H,2H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-ethylindole?
2-(2-bromophenyl)-1-ethylindole has a molecular weight of 300.20 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-ethylindole is sourced from PubChem (CID 141407041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).